Nature Communications (Jun 2022)

Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance

  • Ala M. Shaqra,
  • Sarah N. Zvornicanin,
  • Qiu Yu J. Huang,
  • Gordon J. Lockbaum,
  • Mark Knapp,
  • Laura Tandeske,
  • David T. Bakan,
  • Julia Flynn,
  • Daniel N. A. Bolon,
  • Stephanie Moquin,
  • Dustin Dovala,
  • Nese Kurt Yilmaz,
  • Celia A. Schiffer

DOI
https://doi.org/10.1038/s41467-022-31210-w
Journal volume & issue
Vol. 13, no. 1
pp. 1 – 11

Abstract

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The authors determined crystal structures of the main protease (Mpro) of SARS-CoV-2 bound to substrate peptides. These structures define the substrate envelope and enable identification of sites that may be susceptible to drug resistance.